3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]but-1-enyl]benzenecarboximidamide

Systemtic Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]but-1-enyl]benzenecarboximidamide Openeye Name: 3-[(E)-2-[5-[(1-ethanimidoyl-4-piperidyl)oxy]-1-ethylsulfonyl-indolin-2-yl]but-1-enyl]benzamidine CAS Name: 3-[(E)-2-[1-ethylsulfonyl-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-2-yl]but-1-enyl]benzenecarboximidamide IUPAC Name: 3-[(E)-2-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1-ethylsulfonyl-2,3-dihydroindol-2-yl]but-1-enyl]benzenecarboximidamide Traditional Name: 3-[(E)-2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-1-esyl-indolin-2-yl]but-1-enyl]benzamidine Formula: C28H37N5O3S MolecularWeight: 523.69008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC(=CC=C1)C(=N)N)C2CC3=C(N2S(=O)(=O)CC)C=CC(=C3)OC4CCN(CC4)C(=N)C

Isomeric SMILES

CC/C(=C\C1=CC(=CC=C1)C(=N)N)/C2CC3=C(N2S(=O)(=O)CC)C=CC(=C3)OC4CCN(CC4)C(=N)C

InChI

InChI=1S/C28H37N5O3S/c1-4-21(15-20-7-6-8-22(16-20)28(30)31)27-18-23-17-25(9-10-26(23)33(27)37(34,35)5-2)36-24-11-13-32(14-12-24)19(3)29/h6-10,15-17,24,27,29H,4-5,11-14,18H2,1-3H3,(H3,30,31)/b21-15+,29-19?